Information card for entry 2223770

Structure parameters

• Chemical name: Poly[[bis(μ~2~-6-methylpyrazin-2-carboxylato- κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^)copper(II)] dihydrate]
• Formula: C12 H14 Cu N4 O6
• Calculated formula: C12 H14 Cu N4 O6
• Title of publication: Poly[[bis(μ~2~-6-methylpyrazin-2-carboxylato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^)copper(II)] dihydrate]
• Authors of publication: Fan, Chuan-gang; Wei, Xin-Ting; Li, Linwei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1412
• a: 8.371 ± 0.001 Å
• b: 9.7901 ± 0.0011 Å
• c: 10.3849 ± 0.0013 Å
• α: 90°
• β: 112.277 ± 0.001°
• γ: 90°
• Cell volume: 787.55 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes